4-thiophen-2-yl-1,3-dithiole-2-thione

C7H4S4 — CID 12650086

IUPAC4-thiophen-2-yl-1,3-dithiole-2-thione
SMILESS=c1scc(-c2cccs2)s1
InChIInChI=1S/C7H4S4/c8-7-10-4-6(11-7)5-2-1-3-9-5/h1-4H
InChIKeyPBFCOIRBJKCMBR-UHFFFAOYSA-N
MW216.38 g/mol
LogP4.27
Rot. Bonds1

About 4-thiophen-2-yl-1,3-dithiole-2-thione

4-thiophen-2-yl-1,3-dithiole-2-thione (PubChem CID 12650086) has the molecular formula C7H4S4 and a molecular weight of 216.38 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-thiophen-2-yl-1,3-dithiole-2-thione
PubChem CID12650086
Molecular FormulaC7H4S4
Molecular Weight216.38 g/mol
Exact Mass215.92
IUPAC Name4-thiophen-2-yl-1,3-dithiole-2-thione
SMILESS=c1scc(-c2cccs2)s1
InChIInChI=1S/C7H4S4/c8-7-10-4-6(11-7)5-2-1-3-9-5/h1-4H
InChIKeyPBFCOIRBJKCMBR-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
thiophene;2-thiophen-2-ylthiophene
CID 158809122
4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
CID 12601876
2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one
CID 760085
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2-thiophen-2-ylthiophene;triazine
CID 175444863
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
4-thiophen-2-ylthiophen-2-ol
CID 154302711
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,3-dithiole-2-thione?
The IUPAC name of 4-thiophen-2-yl-1,3-dithiole-2-thione (CID 12650086) is 4-thiophen-2-yl-1,3-dithiole-2-thione.
What is the SMILES notation for 4-thiophen-2-yl-1,3-dithiole-2-thione?
The canonical SMILES for 4-thiophen-2-yl-1,3-dithiole-2-thione is S=c1scc(-c2cccs2)s1.
What is the InChIKey of 4-thiophen-2-yl-1,3-dithiole-2-thione?
The InChIKey is PBFCOIRBJKCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4S4/c8-7-10-4-6(11-7)5-2-1-3-9-5/h1-4H.
What are the key properties of 4-thiophen-2-yl-1,3-dithiole-2-thione?
4-thiophen-2-yl-1,3-dithiole-2-thione has a molecular weight of 216.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,3-dithiole-2-thione is sourced from PubChem (CID 12650086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).